Table 5.

Statistics on diffraction data and structure refinement.

Data collection
Space group	P3121
Unit cell [Å]	a = 115.4, b = 115.4, c = 64.4
Resolution [Å]	2.4
Unique reflections	18572
Fold redundancy	19.2
Completeness [%]	94.8 (66.7)[a]
Average I/σ	7.1 (3.1)[a]
Rmerge	0.102 (0.28)[a]
Structure refinement
R	0.210
Rfree	0.245 (10 %)[b]
Resolution [Å]	3.0–2.4
Reflections	18071
Bond RMSD [Å]	0.006
Angle [°]	1.1
AverageB[Å2]:
Protein	32.0 (2596)[c]
Compound 15	39.0 (21)[c]
Zn	32.9 (1)[c]
Mg	45.7 (1)[c]

^[a]Values in parentheses are for the highest-resolution shell.

^[b]The percentage of reflections omitted for calculation of R_free.

^[c]The number of atoms in the crystallographic asymmetric unit.